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2-{.alpha.-[N-(4'-Bromophenyl)amino]benzyl}-cyclopentanone
SpectraBase Compound ID 8QqHdxIGtiX
InChI InChI=1S/C18H18BrNO/c19-14-9-11-15(12-10-14)20-18(13-5-2-1-3-6-13)16-7-4-8-17(16)21/h1-3,5-6,9-12,16,18,20H,4,7-8H2
InChIKey JQXUZOKYFMOGIZ-UHFFFAOYSA-N
Mol Weight 344.25 g/mol
Molecular Formula C18H18BrNO
Exact Mass 343.057177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsQzScSfmij
Name 2-{.alpha.-[N-(4'-Bromophenyl)amino]benzyl}-cyclopentanone
Comments Computed using HOSE algorithm
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Exact Mass 343.057177203 u
Formula C18H18BrNO
InChI InChI=1S/C18H18BrNO/c19-14-9-11-15(12-10-14)20-18(13-5-2-1-3-6-13)16-7-4-8-17(16)21/h1-3,5-6,9-12,16,18,20H,4,7-8H2
InChIKey JQXUZOKYFMOGIZ-UHFFFAOYSA-N
Molecular Weight 344.252 g/mol
SMILES C(C1C(=O)CCC1)(NC1=CC=C(C=C1)Br)C=1C=CC=CC1